2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one

C9H13N3O — CID 136697560

IUPAC2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O/c1-6-10-8(3-9(13)11-6)7-4-12(2)5-7/h3,7H,4-5H2,1-2H3,(H,10,11,13)
InChIKeyHYPCKUFSZOPIKT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.11
Rot. Bonds1

About 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one

2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136697560) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
PubChem CID136697560
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O/c1-6-10-8(3-9(13)11-6)7-4-12(2)5-7/h3,7H,4-5H2,1-2H3,(H,10,11,13)
InChIKeyHYPCKUFSZOPIKT-UHFFFAOYSA-N
XLogP0.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521
2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136715602
2-methyl-4-[(3R)-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136763695
4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804053
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
4-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 146038047
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
4-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one (CID 136697560) is 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one is Cc1nc(C2CN(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is HYPCKUFSZOPIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-10-8(3-9(13)11-6)7-4-12(2)5-7/h3,7H,4-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one?
2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylazetidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136697560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).